1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

C16H11F3N2OS — CID 161169129

IUPAC1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESNc1c(C(=O)Cc2ccccc2C(F)(F)F)sc2ncccc12
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)11-6-2-1-4-9(11)8-12(22)14-13(20)10-5-3-7-21-15(10)23-14/h1-7H,8,20H2
InChIKeyUQYGNBJMOWTLTM-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.32
Rot. Bonds3

About 1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 161169129) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID161169129
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC Name1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESNc1c(C(=O)Cc2ccccc2C(F)(F)F)sc2ncccc12
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)11-6-2-1-4-9(11)8-12(22)14-13(20)10-5-3-7-21-15(10)23-14/h1-7H,8,20H2
InChIKeyUQYGNBJMOWTLTM-UHFFFAOYSA-N
XLogP4.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 83117309
3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 106423442
3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
CID 113465232
(3-aminothieno[2,3-b]pyridin-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 16764531
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850
3-amino-N-(2,3,4-trifluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316323
2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571494
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 106015905
3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 54585208

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (CID 161169129) is 1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is Nc1c(C(=O)Cc2ccccc2C(F)(F)F)sc2ncccc12.
What is the InChIKey of 1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UQYGNBJMOWTLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c17-16(18,19)11-6-2-1-4-9(11)8-12(22)14-13(20)10-5-3-7-21-15(10)23-14/h1-7H,8,20H2.
What are the key properties of 1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 336.34 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminothieno[2,3-b]pyridin-2-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 161169129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).